2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

C17H19N3 — CID 66413022

IUPAC2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESCc1ccc(Cn2cc(CCN)c3cccnc32)cc1
InChIInChI=1S/C17H19N3/c1-13-4-6-14(7-5-13)11-20-12-15(8-9-18)16-3-2-10-19-17(16)20/h2-7,10,12H,8-9,11,18H2,1H3
InChIKeyOGQUSLUZEFRRCY-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.89
Rot. Bonds4

About 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 66413022) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID66413022
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESCc1ccc(Cn2cc(CCN)c3cccnc32)cc1
InChIInChI=1S/C17H19N3/c1-13-4-6-14(7-5-13)11-20-12-15(8-9-18)16-3-2-10-19-17(16)20/h2-7,10,12H,8-9,11,18H2,1H3
InChIKeyOGQUSLUZEFRRCY-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 66413022) is 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is Cc1ccc(Cn2cc(CCN)c3cccnc32)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is OGQUSLUZEFRRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-4-6-14(7-5-13)11-20-12-15(8-9-18)16-3-2-10-19-17(16)20/h2-7,10,12H,8-9,11,18H2,1H3.
What are the key properties of 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 66413022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).